4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine

C36H44N6O2 — CID 138649696

IUPAC4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc3nc(-c4ccc(-c5nc6ccc(OC7CCC(N(C)C)CC7)cc6[nH]5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C36H44N6O2/c1-41(2)25-9-13-27(14-10-25)43-29-17-19-31-33(21-29)39-35(37-31)23-5-7-24(8-6-23)36-38-32-20-18-30(22-34(32)40-36)44-28-15-11-26(12-16-28)42(3)4/h5-8,17-22,25-28H,9-16H2,1-4H3,(H,37,39)(H,38,40)
InChIKeyFLFHFPPOHHVTGB-UHFFFAOYSA-N
MW592.79 g/mol
LogP7.28
Rot. Bonds8

About 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine

4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine (PubChem CID 138649696) has the molecular formula C36H44N6O2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
PubChem CID138649696
Molecular FormulaC36H44N6O2
Molecular Weight592.79 g/mol
Exact Mass592.35
IUPAC Name4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1CCC(Oc2ccc3nc(-c4ccc(-c5nc6ccc(OC7CCC(N(C)C)CC7)cc6[nH]5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C36H44N6O2/c1-41(2)25-9-13-27(14-10-25)43-29-17-19-31-33(21-29)39-35(37-31)23-5-7-24(8-6-23)36-38-32-20-18-30(22-34(32)40-36)44-28-15-11-26(12-16-28)42(3)4/h5-8,17-22,25-28H,9-16H2,1-4H3,(H,37,39)(H,38,40)
InChIKeyFLFHFPPOHHVTGB-UHFFFAOYSA-N
XLogP7.28
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
CID 138649430
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
CID 138664980
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
CID 3007943
[2-(dicyclohexylamino)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943749
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
1-(6-cyclohexyloxy-1H-benzimidazol-2-yl)ethanone
CID 76849353

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine (CID 138649696) is 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine is CN(C)C1CCC(Oc2ccc3nc(-c4ccc(-c5nc6ccc(OC7CCC(N(C)C)CC7)cc6[nH]5)cc4)[nH]c3c2)CC1.
What is the InChIKey of 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is FLFHFPPOHHVTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O2/c1-41(2)25-9-13-27(14-10-25)43-29-17-19-31-33(21-29)39-35(37-31)23-5-7-24(8-6-23)36-38-32-20-18-30(22-34(32)40-36)44-28-15-11-26(12-16-28)42(3)4/h5-8,17-22,25-28H,9-16H2,1-4H3,(H,37,39)(H,38,40).
What are the key properties of 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine?
4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 592.79 g/mol, XLogP of 7.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 138649696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).